SCHEMBL19862540

SCHEMBL19862540

CC(C)C(C)c1ccc(-c2ccccn2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.47
CYP2D6 P10635 1/20 0.47
CYP19A1 P11511 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
KDM4E B2RXH2 5/20 0.46
LMNA P02545 3/20 0.46
CCR1 P32246 2/20 0.46
CCR5 P51681 2/20 0.46
CCR8 P51685 2/20 0.46
POLB P06746 1/20 0.46
METAP1 P53582 1/20 0.46
BLM P54132 1/20 0.46
HIF1A Q16665 1/20 0.46
DOHH Q9BU89 1/20 0.46
P4HTM Q9NXG6 1/20 0.46
TGFBR1 P36897 1/20 0.44
CYP2A6 P11509 1/20 0.43
CYP17A1 P05093 1/20 0.43
CYP3A4 P08684 1/20 0.43

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
SCHEMBL29925695 0.85 TGFBR1 (0.56) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL1102440 0.85 TGFBR1 (0.56) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL12663370 0.84 CYP1A2 (0.44) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL12663368 0.83 TGFBR1 (0.55) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL2424951 0.81 CYP1A2 (0.47) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL20023732 0.81 CYP1A2 (0.47) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL27736665 0.81 CYP1A2 (0.47) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL1566968 0.79 KDM4E (0.72) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL30989132 0.79 KDM4E (0.72) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL30989133 0.79 KDM4E (0.72) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025934-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2024-01-25 US disclosed
US-11753425-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2023-09-12 US disclosed
US-20210315876-A1 METHODS FOR REVERSING HIV LATENCY USING BAF COMPLEX MODULATING COMPOUNDS PURDUE RESEARCH FOUNDATION 2021-10-14 US disclosed
US-10981876-B2 Spiro compound and organic light emitting element comprising same LG CHEM, LTD. 2021-04-20 US disclosed
US-20180044343-A1 BICYCLIC IMIDAZOLO DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2018-02-15 US disclosed
US-20180044343-A1 BICYCLIC IMIDAZOLO DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2018-02-15 US 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 (5 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-20180044343-A1 BICYCLIC IMIDAZOLO DERIVATIVE PDE3A, PDE2A, PDE5A CYP1A2 677/4885CYP2D6 1605/4885CYP19A1 427/4885
US-20240025934-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES SSB, RO60, LIFR CYP1A2 3956/4885CYP2D6 3017/4885CYP19A1 4220/4885
US-10981876-B2 Spiro compound and organic light emitting element comprising same RER1, RIF1, CRY1 CYP1A2 587/4885CYP2D6 705/4885CYP19A1 119/4885
US-11753425-B2 Organic electroluminescent materials and devices SSB, RO60, LIFR CYP1A2 3956/4885CYP2D6 3017/4885CYP19A1 4220/4885
US-20210315876-A1 METHODS FOR REVERSING HIV LATENCY USING BAF COMPLEX MODULATING COMPOUNDS CHD1L, SMARCC1, CHD1 CYP1A2 4764/4885CYP2D6 4758/4885CYP19A1 3705/4885

“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.