SCHEMBL18148757

SCHEMBL18148757

COc1ccc([C@@H]2C(=O)OC[C@H]2C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.46
ALOX15 P16050 1/20 0.43
ALOX12 P18054 1/20 0.43
ALDH1A1 P00352 2/20 0.43
KMT2A Q03164 1/20 0.43
FPR2 P25090 1/20 0.41
MAOA P21397 2/20 0.41
NPC1 O15118 2/20 0.41
MAPT P10636 2/20 0.41
RAB9A P51151 2/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
PTGS2 P35354 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAOB P27338 3/20 0.41
KDM1A O60341 2/20 0.41
EDNRA P25101 2/20 0.41
EDNRB P24530 1/20 0.41
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40

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
SCHEMBL16877086 1.00 CYP19A1 (0.46) CYP19A1ALOX15ALOX12ALDH1A1KMT2A
SCHEMBL16877182 1.00 CYP19A1 (0.46) CYP19A1ALOX15ALOX12ALDH1A1KMT2A
SCHEMBL13998881 0.80 TSHR (0.39) CYP19A1ALDH1A1MAPTSMN1; SMN2
SCHEMBL14350752 0.80 TSHR (0.39) CYP19A1ALDH1A1MAPTSMN1; SMN2
SCHEMBL7949231 0.80 FPR2 (0.48) CYP19A1ALOX15ALOX12ALDH1A1KMT2A
SCHEMBL10721280 0.77 CRBN (0.39) ALDH1A1MAOANPC1MAPTRAB9A
SCHEMBL7948643 0.75 NPC1 (0.45) ALDH1A1FPR2MAOANPC1MAPT
SCHEMBL30284943 0.73 FPR2 (0.51) CYP19A1ALOX15ALOX12FPR2MAOA
SCHEMBL10844446 0.73 ALDH1A1 (0.62) ALDH1A1KMT2AMAOANPC1MAPT
SCHEMBL10456773 0.69 ALDH1A1 (0.32) ALDH1A1KMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3089980-B1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2018-01-31 EP disclosed
US-9670208-B2 Serine/threonine kinase inhibitors ARRAY BIOPHARMA INC. (US) 2017-06-06 US disclosed
US-20160304519-A1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2016-10-20 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 (1 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-20160304519-A1 SERINE/THREONINE KINASE INHIBITORS TTBK1, MAP3K1, TNNI3K CYP19A1 2701/4885ALOX15 4353/4885ALOX12 4416/4885

“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.