SCHEMBL21451909

SCHEMBL21451909

O=C1CCCCC1c1ccccc1C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
HTR2C P28335 3/20 0.45
HCRTR1 O43613 1/20 0.43
HCRTR2 O43614 1/20 0.43
TP53 P04637 3/20 0.41
MAPT P10636 2/20 0.41
RBP4 P02753 2/20 0.41
HTR2B P41595 1/20 0.39
TNF P01375 1/20 0.39
IL6 P05231 1/20 0.39
MCL1 Q07820 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
SCHEMBL16212148 0.88 HTR2C (0.49) GAATDP1HTR2CHCRTR1HCRTR2
SCHEMBL25378056 0.88 HTR2C (0.49) GAATDP1HTR2CHCRTR1HCRTR2
SCHEMBL31227327 0.88 HTR2C (0.49) GAATDP1HTR2CHCRTR1HCRTR2
SCHEMBL21452450 0.86 TAS1R3 (0.42) GAATDP1HTR2CHTR2B
SCHEMBL21452532 0.81 AR (0.39)
SCHEMBL10356725 0.78 KDM4E (0.45) GAAMAPTMCL1
SCHEMBL28007099 0.78 NPC1 (0.43) MAPTMCL1
SCHEMBL21452480 0.77 P2RX7 (0.36) GAARBP4MCL1
SCHEMBL22731163 0.75 GAA (0.47) GAATDP1HTR2CHCRTR1HCRTR2
SCHEMBL22727368 0.75 GAA (0.47) GAATDP1HTR2CHCRTR1HCRTR2

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-20210171487-A1 AROMATIC COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI JIANHE PHARMACEUTICAL & TECHNOLOGY CO. LTD. (CN) 2021-06-10 US disclosed
EP-3778579-A1 AROMATIC COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Jianhe Pharmaceutical & Technology Co. Ltd. (CN) 2021-02-17 EP disclosed
WO-2020237748-A1 METHOD FOR PREPARING LONG-ACTING COMPOUND 北京大学深圳研究生院 2020-12-03 WO disclosed
WO-2020237747-A1 APPLICATIONS OF LONG-ACTING COMPOUND IN PREPARING MEDICAMENT 北京大学深圳研究生院 2020-12-03 WO disclosed
WO-2020237749-A1 LONG-ACTING COMPOUND 北京大学深圳研究生院 2020-12-03 WO disclosed
WO-2019192602-A1 AROMATIC COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海键合医药科技有限公司 2019-10-10 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 (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-20210171487-A1 AROMATIC COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF CYP4F11, PAH, COMT GAA 728/4885TDP1 814/4885HTR2C 1307/4885

“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.