SCHEMBL470103

SCHEMBL470103

COC(=O)C(C)(C)c1ccc(I)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47
BRS3 P32247 1/20 0.43
KCNN4 O15554 1/20 0.42
TRPV1 Q8NER1 2/20 0.39
PLCG1 P19174 1/20 0.37
MAPT P10636 2/20 0.36
APP P05067 1/20 0.36
ALDH1A1 P00352 2/20 0.36
POLB P06746 1/20 0.36
TPMT P51580 1/20 0.35
KMT2A Q03164 1/20 0.35
SRC P12931 1/20 0.35
LMNA P02545 1/20 0.35
ALOX15 P16050 1/20 0.35
APEX1 P27695 1/20 0.35
MAPK1 P28482 1/20 0.35
RECQL P46063 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8974321 0.89 CNR1 (0.54) CNR1CNR2BRS3KCNN4PLCG1
SCHEMBL5877921 0.83 MAPT (0.50) CNR1CNR2BRS3KCNN4MAPT
SCHEMBL4678694 0.82 GABRG2 (0.38) CNR1CNR2TRPV1MAPTAPP
SCHEMBL1107149 0.82 CNR2 (0.57) CNR1CNR2BRS3KCNN4PLCG1
SCHEMBL3573740 0.82 CNR1 (0.53) CNR1CNR2BRS3KCNN4MAPT
SCHEMBL2129349 0.81 TRPV1 (0.44) CNR1CNR2KCNN4TRPV1MAPT
SCHEMBL23583000 0.80 MAPT (0.59) CNR1CNR2BRS3KCNN4PLCG1
SCHEMBL4673000 0.80 CNR1 (0.47) CNR1CNR2BRS3KCNN4PLCG1
SCHEMBL8187459 0.80 MAPT (0.56) CNR1CNR2TRPV1MAPTALDH1A1
SCHEMBL363770 0.80 CNR1 (0.51) CNR1CNR2BRS3KCNN4PLCG1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115427405-B Tricyclic compounds, preparation method and medical application thereof 合肥医工医药股份有限公司 2024-09-24 CN disclosed
EP-4177248-A1 A CLASS OF TRICYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF Hefei Institute of Pharmaceutical Industry Co., Ltd. (CN) 2023-05-10 EP disclosed
EP-4177248-A1 A CLASS OF TRICYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF Hefei Institute of Pharmaceutical Industry Co., Ltd. (CN) 2023-05-10 EP disclosed
US-20230140276-A1 TRICYCLIC COMPOUNDS, PREPARATION METHOD AND MEDICAL USE THEREOF HEFEI AMVITE PHARMACEUTICAL CO., LTD. (CN) 2023-05-04 US disclosed
US-20230140276-A1 TRICYCLIC COMPOUNDS, PREPARATION METHOD AND MEDICAL USE THEREOF HEFEI AMVITE PHARMACEUTICAL CO., LTD. (CN) 2023-05-04 US disclosed
US-20230140276-A1 TRICYCLIC COMPOUNDS, PREPARATION METHOD AND MEDICAL USE THEREOF HEFEI AMVITE PHARMACEUTICAL CO., LTD. (CN) 2023-05-04 US disclosed
CN-115427405-A Tricyclic compound, preparation method and medical application thereof 合肥医工医药股份有限公司 2022-12-02 CN disclosed
WO-2022001331-A1 A CLASS OF TRICYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF 合肥医工医药股份有限公司 2022-01-06 WO disclosed
WO-2022001331-A1 A CLASS OF TRICYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF 合肥医工医药股份有限公司 2022-01-06 WO disclosed
CN-107001213-A Preparation method and purification method of organic fluorinated aliphatic compound 财团法人峨山社会福祉财团 2017-08-01 CN disclosed
US-20080004455-A1 Compounds having selective cytochrome P450RAI-1 or selective cytochrome P450RAI-2 inhibitory activity and methods of obtaining the same ALLERGAN, INC. (US) 2008-01-03 US disclosed
US-7226951-B2 Compounds having selective cytochrome P450RAI-1 or selective cytochrome P450RAI-2 inhibitory activity and methods of obtaining the same ALLERGAN, INC. (US) 2007-06-05 US disclosed
US-7226951-B2 Compounds having selective cytochrome P450RAI-1 or selective cytochrome P450RAI-2 inhibitory activity and methods of obtaining the same ALLERGAN, INC. (US) 2007-06-05 US disclosed
US-7226951-B2 Compounds having selective cytochrome P450RAI-1 or selective cytochrome P450RAI-2 inhibitory activity and methods of obtaining the same ALLERGAN, INC. (US) 2007-06-05 US disclosed
EP-1699775-A2 COMPOUNDS HAVING SELECTIVE CYTOCHROME P450RAI-1 OR SELECTIVE CYTOCHROME P450RAI-2 INHIBITORY ACTIVITY AND METHODS OF OBTAINING THE SAME Allergan, Inc. (US) 2006-09-13 EP disclosed
EP-1696899-A1 METHODS FOR TREATING RETINOID RESPONSIVE DISORDERS USING SELECTIVE INHIBITORS OF CYP26A AND CYP26B ALLERGAN, INC. (US) 2006-09-06 EP disclosed
US-20050187298-A1 Methods for treating retinoid responsive disorders using selective inhibitors of CYP26A and CYP26B ALLERGAN, INC. (US) 2005-08-25 US disclosed
US-20050176689-A1 Compounds having selective cytochrome P450RAI-1 or selective cytochrome P450RAI-2 inhibitory activity and methods of obtaining the same ALLERGAN, INC. 2005-08-11 US disclosed
WO-2005058798-A2 COMPOUNDS HAVING SELECTIVE CYTOCHROME P450RAI-1 OR SELECTIVE CYTOCHROME P450RAI-2 INHIBITORY ACTIVITY AND METHODS OF OBTAINING THE SAME ALLERGAN, INC. (US) 2005-06-30 WO disclosed
WO-2005058301-A1 METHODS FOR TREATING RETINOID RESPONSIVE DISORDERS USING SELECTIVE INHIBITORS OF CYP26A AND CYP26B ALLERGAN, INC. (US) 2005-06-30 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230140276-A1 TRICYCLIC COMPOUNDS, PREPARATION METHOD AND MEDICAL USE THEREOF HNMT, CHRM1, HRH4 CNR1 40/4885CNR2 42/4885BRS3 805/4885
US-20050176689-A1 Compounds having selective cytochrome P450RAI-1 or selective cytochrome P450RAI-2 inhibitory activity and methods of obtaining the same CYP1A2, CYP2A7, CYP3A7 CNR1 492/4885CNR2 675/4885BRS3 2186/4885
US-20050187298-A1 Methods for treating retinoid responsive disorders using selective inhibitors of CYP26A and CYP26B CYP26B1, CYP2A6, CYP21A2 CNR1 473/4885CNR2 590/4885BRS3 1715/4885
US-20080004455-A1 Compounds having selective cytochrome P450RAI-1 or selective cytochrome P450RAI-2 inhibitory activity and methods of obtaining the same CYP1A2, CYP2A7, CYP3A7 CNR1 492/4885CNR2 675/4885BRS3 2186/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.