SCHEMBL19987501

SCHEMBL19987501

CCCC(C)(C)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
KIF11 P52732 3/20 0.38
CYP1A1 P04798 1/20 0.38
CYP1B1 Q16678 1/20 0.38

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
SCHEMBL23616384 0.88 CNR2 (0.44) CNR2ESR1ESR2
SCHEMBL17223947 0.87 CNR2 (0.49) CNR2MEN1KMT2AESR1ESR2
SCHEMBL18494777 0.84 CNR2 (0.58) CNR2
SCHEMBL21791677 0.83 NPC1 (0.43) CNR2ESR1ESR2
SCHEMBL19557869 0.82 TRPV1 (0.46) TAAR1ALDH1A1TSHRKIF11
SCHEMBL18861653 0.82 IDO1 (0.38) CNR2ALDH1A1TSHR
SCHEMBL19232109 0.82 CNR2 (0.42) CNR2MEN1KMT2AESR1ESR2
SCHEMBL15294399 0.81 NPC1 (0.48) CNR2TAAR1ALDH1A1TSHRKIF11
SCHEMBL18930278 0.81 TSHR (0.46) CNR2ESR1ESR2TSHRKIF11
SCHEMBL25875872 0.81 CNR2 (0.47) CNR2ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210246115-A1 ANTI-INFECTIVE HETEROCYCLIC COMPOUNDS AND USES THEREOF BIOIMICS AB (SE) 2021-08-12 US disclosed
US-10993938-B2 Lactam compound, preparation method and use thereof OCEAN UNIVERSITY OF CHINA (CN) 2021-05-04 US disclosed
US-20200030312-A1 Lactam Compound, Preparation Method and Use thereof OCEAN UNIVERSITY OF CHINA (CN) 2020-01-30 US disclosed
US-10399932-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer BRISTOL-MYERS SQUIBB COMPANY (US) 2019-09-03 US disclosed
US-20180079712-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER BRISTOL MYERS SQUIBB CO (US) 2018-03-22 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-20210246115-A1 ANTI-INFECTIVE HETEROCYCLIC COMPOUNDS AND USES THEREOF FDPS, FPR1, F12 CNR2 2528/4885MEN1 894/4885KMT2A 4684/4885
US-20200030312-A1 Lactam Compound, Preparation Method and Use thereof FURIN, PEPD, PIN1 CNR2 3955/4885MEN1 1111/4885KMT2A 3643/4885
US-10993938-B2 Lactam compound, preparation method and use thereof FURIN, PEPD, PIN1 CNR2 3955/4885MEN1 1111/4885KMT2A 3643/4885
US-10399932-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer IDO1, IDO2, INMT CNR2 528/4885MEN1 2234/4885KMT2A 400/4885
US-20180079712-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER IDO1, IDO2, INMT CNR2 528/4885MEN1 2234/4885KMT2A 400/4885

“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.