SCHEMBL18713610

SCHEMBL18713610

CCC(CC)c1cccc(/C=C/C(=O)O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.56
ALDH1A1 P00352 5/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
NPSR1 Q6W5P4 2/20 0.53
HDAC1 Q13547 3/20 0.50
HDAC3 O15379 2/20 0.50
HDAC4 P56524 2/20 0.50
HDAC7 Q8WUI4 2/20 0.50
HDAC2 Q92769 2/20 0.50
HDAC10 Q969S8 2/20 0.50
HDAC11 Q96DB2 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
HDAC9 Q9UKV0 2/20 0.50
HDAC5 Q9UQL6 2/20 0.50
TNKS O95271 1/20 0.50
HCAR2 Q8TDS4 1/20 0.50
TNKS2 Q9H2K2 1/20 0.50
MAPT P10636 2/20 0.49
HTT P42858 1/20 0.49

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
SCHEMBL21164362 0.91 KDM4E (0.51) KDM4EALDH1A1SMN1; SMN2NPSR1HDAC1
SCHEMBL8571576 0.82 RXRA (0.66) KDM4EALDH1A1SMN1; SMN2NPSR1HDAC1
SCHEMBL28421135 0.82 RXRA (0.66) KDM4EALDH1A1SMN1; SMN2NPSR1HDAC1
SCHEMBL20032085 0.80 KDM4E (0.66) KDM4EALDH1A1SMN1; SMN2HDAC1HDAC3
SCHEMBL16771518 0.80 NPSR1 (0.59) KDM4EALDH1A1SMN1; SMN2NPSR1HDAC1
SCHEMBL3637311 0.80 NPSR1 (0.59) KDM4EALDH1A1SMN1; SMN2NPSR1HDAC1
SCHEMBL28223266 0.80 KDM4E (0.66) KDM4EALDH1A1SMN1; SMN2HDAC1HDAC3
SCHEMBL8572430 0.78 NPSR1 (0.53) KDM4EALDH1A1SMN1; SMN2NPSR1HDAC1
SCHEMBL8572429 0.78 NPSR1 (0.53) KDM4EALDH1A1SMN1; SMN2NPSR1HDAC1
SCHEMBL271386 0.77 NPSR1 (0.74) KDM4EALDH1A1SMN1; SMN2NPSR1HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11759462-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors ALTAVANT SCIENCES GMBH 2023-09-19 US disclosed
US-10946018-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors ROIVANT SCIENCES GMBH (CH) 2021-03-16 US disclosed
US-20200237760-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ROIVANT SCIENCES GMBH (CH) 2020-07-30 US disclosed
US-10660893-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors ROIVANT SCIENCES, GmbH (CH) 2020-05-26 US disclosed
US-20190282575-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ALTAVANT SCIENCES GMBH (CH) 2019-09-19 US disclosed
US-20180092918-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ALTAVANT SCIENCES GMBH (CH) 2018-04-05 US disclosed
US-9750740-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors Kanos Pharmaceuticals, Inc. (US) 2017-09-05 US disclosed
US-20170095476-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ALTAVANT SCIENCES GMBH (CH) 2017-04-06 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 (7 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-10660893-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A KDM4E 2437/4885ALDH1A1 433/4885SMN1; SMN2 3998/4885
US-20200237760-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A KDM4E 2437/4885ALDH1A1 433/4885SMN1; SMN2 3998/4885
US-20180092918-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A KDM4E 2437/4885ALDH1A1 433/4885SMN1; SMN2 3998/4885
US-20170095476-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A KDM4E 2437/4885ALDH1A1 433/4885SMN1; SMN2 3998/4885
US-11759462-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A KDM4E 2437/4885ALDH1A1 433/4885SMN1; SMN2 3998/4885
US-20190282575-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A KDM4E 2437/4885ALDH1A1 433/4885SMN1; SMN2 3998/4885
US-10946018-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A KDM4E 2437/4885ALDH1A1 433/4885SMN1; SMN2 3998/4885

“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.